Geometry & MOs

Info

ID:	275206
PubChem CID:	103814581
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	5.75
IP(EA), eV:	-8.69(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminocyclohexyl)-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC=C(C=C2)N)C

DOS

IR

Vibrations